5-oxo-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide

C9H11N3O2S — CID 78983445

IUPAC5-oxo-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)NCc2nccs2)CN1
InChIInChI=1S/C9H11N3O2S/c13-7-3-6(4-11-7)9(14)12-5-8-10-1-2-15-8/h1-2,6H,3-5H2,(H,11,13)(H,12,14)
InChIKeyPVYIACJWJUKKFK-UHFFFAOYSA-N
MW225.27 g/mol
LogP-0.10
Rot. Bonds3

About 5-oxo-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide

5-oxo-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 78983445) has the molecular formula C9H11N3O2S and a molecular weight of 225.27 g/mol. Its IUPAC name is 5-oxo-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID78983445
Molecular FormulaC9H11N3O2S
Molecular Weight225.27 g/mol
Exact Mass225.06
IUPAC Name5-oxo-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)NCc2nccs2)CN1
InChIInChI=1S/C9H11N3O2S/c13-7-3-6(4-11-7)9(14)12-5-8-10-1-2-15-8/h1-2,6H,3-5H2,(H,11,13)(H,12,14)
InChIKeyPVYIACJWJUKKFK-UHFFFAOYSA-N
XLogP-0.10
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide
CID 94916816
5-oxo-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-carboxamide
CID 110746410
5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 78982237
N-(1,2,4-oxadiazol-3-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 106406327
2-[[(5-oxopyrrolidine-3-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 83193579
2-amino-N-(1,3-thiazol-2-ylmethyl)cyclopropane-1-carboxamide
CID 82237387
5-oxo-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide
CID 78983105
N-[(6-methyl-2-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 78983299
5-oxo-N-(2H-tetrazol-5-ylmethyl)pyrrolidine-3-carboxamide
CID 78954241
N-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 78981486
N-(1,3-thiazol-2-ylmethyl)morpholine-2-carboxamide;dihydrochloride
CID 119858588
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 78983059

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide (CID 78983445) is 5-oxo-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide is O=C1CC(C(=O)NCc2nccs2)CN1.
What is the InChIKey of 5-oxo-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is PVYIACJWJUKKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2S/c13-7-3-6(4-11-7)9(14)12-5-8-10-1-2-15-8/h1-2,6H,3-5H2,(H,11,13)(H,12,14).
What are the key properties of 5-oxo-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide?
5-oxo-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 225.27 g/mol, XLogP of -0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 78983445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).